155 citations · 1.1k across the 27 of their papers we have counts for
5 papers · 1 filter
Effect of substitutional doping and disorder on the phase stability, magnetism, and half-metallicity of Heusler alloys
Nikolai A Zarkevich, Prashant Singh, A. V. Smirnov +1
Spintronics is the fast growing field that will play a key role in optimizing power consumption, memory, and processing capabilities of nanoelectronic devices. Heusler alloys are p…
Towards Stacking Fault Energy Engineering in FCC High Entropy Alloys
Tasneem Khan, Tanner Kirk, Guillermo Vazquez +5
Stacking Fault Energy (SFE) is an intrinsic alloy property that governs much of the plastic deformation mechanisms observed in fcc alloys. While SFE has been recognized for many ye…
Pseudoelastic deformation in Mo-based refractory multi-principal element alloys
Aayush Sharma, Prashant Singh, Tanner Kirk +5
Phase diagrams supported by density functional theory methods can be crucial for designing high-entropy alloys that are subset of multi-principalelement alloys. We present phase…
Effect of heterostructure engineering on electronic structure and transport properties of two-dimensional halide perovskites
Rahul Singh, Prashant Singh, Ganesh Balasubramania
Organic-inorganic halide perovskite solar cells have attracted much attention due to their low-cost fabrication, flexibility, and high-power conversion efficiency. More recent effo…
Neural-networks model for force prediction in multi-principal-element alloys
Rahul Singh, Prashant Singh, Aayush Sharma +6
Atomistic simulations can provide useful insights into the physical properties of multi-principal-element alloys. However, classical potentials mostly fail to capture key quantum (…